CC(C)(C)C1=CC(=Nc2ccc(CC#N)cc2)C=C(C(C)(C)C)C1=O
SMILES: CC(C)(C)C1=CC(=Nc2ccc(CC#N)cc2)C=C(C(C)(C)C)C1=O

Molecular Processing

Molecular formula
C22H26N2O
Molecular weight
334.46
Exact mass
334.2045
XLogP
5.35
TPSA
53.22
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
102.94

Supplementary Information

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